Reaction Details Report a problem with these data
Target
Envelope glycoprotein gp160
Ligand
BDBM48777
Substrate
n/a
Meas. Tech.
SAR analysis of compounds that inhibit Human Immunodeficiency Virus Fusion.
IC50
2610±n/a nM
Citation
 PubChem, PC SAR analysis of compounds that inhibit Human Immunodeficiency Virus Fusion. PubChem Bioassay (2010)[AID] 
Target
Name:
Envelope glycoprotein gp160
Synonyms:
envelope glycoprotein
Type:
Enzyme Catalytic Domain
Mol. Mass.:
91798.58
Organism:
Human immunodeficiency virus 1
Description:
gi_45357394
Residue:
814
Sequence:
MRVKGIRRNYQHLWRWGTMLLGMLMICSAKEQLWVTAYYGVPVWKEATTTLFCASDAKAYDTEVHNVWATHACVPTDPNPREVVMGNVTEEFNIWNNSMVEQMHEDIISLWDESLKPCVKLTPLCVTFNCTNYNGTRNGTTTEPPEVKNCTTKETGIKNCSFNIATSGVEDRFKKEYALLYTADIVQIDNSSINYTLIGCNTSVITQACPKVSFEPIPIHYCAPAGFAILKCNNKTFNGKGPCTNVSTVQCTHGIRPVVSTQLLLNGSLAEEVVIRSDNFSDNAKTIIVQLKDPVVINCTRPNNNTRKGIRIGPGRTFYTTERIIGDIRQAHCNISRTQWNNTLRLIAAKLKKQFNNKTIIFRNSSGGDPEIVMHSFNCGGEFFYCNTTQLFNSTWVHNNTWVHNNTGNDTEEGTITLPCRIKQIINMWQEVGKAMYAPPIKGQIRCSSNITGLILTRDGGNTSSNNETFRPGGGDMRDNWRSELYKYKVVKIEPLGVAPTKARRRVVQREKRAVGMLGAMFLGFLGAAGSTMGAASLALTVQARQVVSGIVQQQNNLLRAIEAQQHLLQLTVWGIKQLQARVLAVERYLGDQQLLGIWGCSGKLICTTAVPWNDSWSNKSLKYIWDNMTWMQWEKEIDIHVDTIYQLLEASQYQQEKNEKDLLELDKWESLWNWFDITNWLWYIKIFIMIVGGLIGLRIVFTVLSIVNRVRQGYSPLSLQTRLPTQRGPDRPEGIEEEGGERQRHIRSISEWILNNYPGRPAEPVPLQLPPLERLTLDCNEDCGTSGTQGVGSPQVFVESPPVLESGTKEECC
  
Inhibitor
Name:
BDBM48777
Synonyms:
2-(2-hydroxy-3,5-dinitro-benzylidene)thiazolo[3,2-a]benzimidazol-1-one | 2-[(2-hydroxy-3,5-dinitrophenyl)methylidene]-1-thiazolo[3,2-a]benzimidazolone | 2-[(2-hydroxy-3,5-dinitrophenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one | 2-[(3,5-dinitro-2-oxidanyl-phenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one | MLS000715276 | SMR000275255 | cid_3098935
Type:
Small organic molecule
Emp. Form.:
C16H8N4O6S
Mol. Mass.:
384.323
SMILES:
Oc1c(\C=c2/sc3nc4ccccc4n3c2=O)cc(cc1[N+]([O-])=O)[N+]([O-])=O
Structure:
Search PDB for entries with ligand similarity: